Understanding Molecular Simulation: from algorithms to applications

✍ Scribed by Daan Frenkel, Berend Smit

• Publisher: Academic Press
• Year: 1996
• Tongue: English
• Leaves: 658
• Series: Computational Science Series, Vol 1
• Edition: 2
• Category: Library

✦ Synopsis

Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text.

✦ Subjects

Физика;Матметоды и моделирование в физике;